SCHEMBL6077330

SCHEMBL6077330

CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.39
F10 P00742 5/20 0.39
PLAT P00750 5/20 0.39
PRSS1 P07477 5/20 0.39
PRSS2 P07478 5/20 0.39
PRSS3 P35030 5/20 0.39
AAK1 Q2M2I8 2/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 2/20 0.36
MC4R P32245 1/20 0.36
SCN9A Q15858 1/20 0.35
ACE P12821 1/20 0.34
CACNA1B Q00975 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6078513 0.92 AAK1 (0.38) AAK1CTSSCTSKSCN9AACE
SCHEMBL6920452 0.88 SCN9A (0.36) F2F10PLATPRSS1PRSS2
SCHEMBL6077401 0.84 F2 (0.48) F2F10PLATPRSS1PRSS2
SCHEMBL6919273 0.83 SCN9A (0.35) F2F10PLATPRSS1PRSS2
SCHEMBL6078268 0.82 F2 (0.45) F2F10PLATPRSS1PRSS2
SCHEMBL6077326 0.82 ALDH1A1 (0.49) F2F10PLATPRSS1PRSS2
SCHEMBL6077624 0.81 F2 (0.47) F2F10PLATPRSS1PRSS2
SCHEMBL6919562 0.80 SCN9A (0.36) F2F10PLATPRSS1PRSS2
SCHEMBL6076947 0.79 ALDH1A1 (0.42) F2F10PLATPRSS1PRSS2
SCHEMBL6078139 0.76 F2 (0.61) F2F10PLATPRSS1PRSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885F10 3/4885PLAT 16/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.